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Name | CHEMBL2349180 |
---|---|
Molecular formula | C18H22ClN5O2S2 |
IUPAC name | 5-[(1S)-1-(4-chloropyridin-2-yl)ethyl]sulfanyl-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one |
Molecular weight | 439.977 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | BDBM50432466 |
Inchi Key | UDGYWARCEKJDIJ-CMPLNLGQSA-N |
Inchi ID | InChI=1S/C18H22ClN5O2S2/c1-9(2)6-12(8-25)21-15-14-16(24-18(26)28-14)23-17(22-15)27-10(3)13-7-11(19)4-5-20-13/h4-5,7,9-10,12,25H,6,8H2,1-3H3,(H2,21,22,23,24,26)/t10-,12+/m0/s1 |
PubChem CID | 71718998 |
ChEMBL | CHEMBL2349180 |
IUPHAR | N/A |
BindingDB | 50432466 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
334067 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
334066 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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